SCHEMBL6159561

SCHEMBL6159561

O=C(O)c1nc(-c2ccccc2F)[nH]c1CCC1CCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.43
BRS3 P32247 2/20 0.42
MCL1 Q07820 1/20 0.39
AADAT Q8N5Z0 2/20 0.39
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
DHODH Q02127 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PARP1 P09874 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6161614 0.88 BRS3 (0.41) BRS3MCL1MEN1ALDH1A1KMT2A
SCHEMBL6158375 0.86 PIN1 (0.49) BRS3MCL1
SCHEMBL6160709 0.83
SCHEMBL6159124 0.76
SCHEMBL6161128 0.73 PIN1 (0.51)
SCHEMBL6161081 0.73
SCHEMBL6160223 0.73 CCKBR (0.38) BRS3MCL1
SCHEMBL6160584 0.73
SCHEMBL6158987 0.73 LDLR (0.49)
SCHEMBL6159803 0.71

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed